| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: (2S)-3-[ethyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-2-methyl-propanenitrile (2S)-3-[ethyl-[2-(2-methylimidaz…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.02 | 8.4 | -108.23 | 2 | 4 | 2 | 47 | 222.336 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 7.93 | -59.11 | 1 | 4 | 1 | 46 | 221.328 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 6.06 | -10.87 | 0 | 4 | 0 | 45 | 220.32 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 6.52 | -34.64 | 1 | 4 | 1 | 46 | 221.328 | 6 | ↓ |
